4LFE

Crystal structure of geranylgeranyl diphosphate synthase sub1274 (target efi-509455) from streptococcus uberis 0140j with bound magnesium and isopentyl diphosphate, partially liganded complex;

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-18
Detector	ADSC QUANTUM 315
Wavelength(s)	1.075
Spacegroup name	P 21 21 21
Unit cell lengths	70.798, 75.789, 124.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.820 - 1.950
R-factor	0.20794
Rwork	0.207
R-free	0.23631
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gp1
RMSD bond length	0.006
RMSD bond angle	1.091
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.980
High resolution limit [Å]	1.950	1.950
Rmerge	0.082	0.520
Number of reflections	48833
<I/σ(I)>	12.6	4.1
Completeness [%]	98.8	100
Redundancy	8.2	7.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		0.2M MAGNESIUM CHLORIDE, 0.1M MES-NAOH, PH 6.5, 25% PEG4000, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K